2,4-diisocyanato-1-methyl-benzene; 2-ethylhexanoate; tin(4+)

Systemtic Name: 2,4-diisocyanato-1-methyl-benzene; 2-ethylhexanoate; tin(4+) Openeye Name: stannic; 2,4-diisocyanato-1-methyl-benzene; 2-ethylhexanoate CAS Name: 2,4-diisocyanato-1-methylbenzene; 2-ethylhexanoate; tin(4+) IUPAC Name: 2,4-diisocyanato-1-methylbenzene; 2-ethylhexanoate; tin(4+) Traditional Name: stannic; 2,4-diisocyanato-1-methyl-benzene; 2-ethylhexanoate Formula: C25H36N2O6Sn+2 MolecularWeight: 579.27314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC1=C(C=C(C=C1)N=C=O)N=C=O.[Sn+4]

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CC1=C(C=C(C=C1)N=C=O)N=C=O.[Sn+4]

InChI

InChI=1S/C9H6N2O2.2C8H16O2.Sn/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;2*1-3-5-6-7(4-2)8(9)10;/h2-4H,1H3;2*7H,3-6H2,1-2H3,(H,9,10);/q;;;+4/p-2